(4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-methylsulfonyl-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-methylsulfonyl-2-nitro-benzoate Openeye Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-methylsulfonyl-2-nitro-benzoate CAS Name: 4-methylsulfonyl-2-nitrobenzoic acid (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) ester IUPAC Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-mesyl-2-nitro-benzoic acid (4-keto-2-bicyclo[3.2.1]oct-2-enyl) ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)OC2=CC(=O)C3CCC2C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)OC2=CC(=O)C3CCC2C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-25(22,23)11-4-5-12(13(7-11)17(20)21)16(19)24-15-8-14(18)9-2-3-10(15)6-9/h4-5,7-10H,2-3,6H2,1H3